HMDB0006259 RDKit 3D 6beta-Hydroxytestosterone 50 53 0 0 0 0 0 0 0 0999 V2000 -2.1687 0.4685 1.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3834 -0.2607 0.4507 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8475 -1.6425 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 -1.5668 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3682 -0.7369 -0.2060 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2625 0.5826 -0.5298 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3656 1.1145 -1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 0.6697 -2.0447 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5492 1.7254 -2.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 0.1151 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8093 0.1014 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -0.4499 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 -0.1026 0.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 -1.4753 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.6916 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 -0.4507 0.2545 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8207 0.5738 1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 0.4834 -0.7290 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4801 1.7705 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 1.3556 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8288 -0.1345 0.0418 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7141 -0.4963 1.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 0.8193 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 -0.2127 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.3378 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 -2.3562 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 -2.0107 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1933 -1.2990 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -2.6252 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 -1.3094 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 1.3564 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2451 2.2275 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 0.7429 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 -0.0928 -2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2318 1.3681 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 0.5047 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -1.2138 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -2.4247 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -2.0108 1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 -2.4839 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 1.6162 0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 0.4364 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 0.4189 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 -0.0388 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0994 2.4772 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 2.2946 -1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 1.9062 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5803 1.4534 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -0.7022 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 -0.1323 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 6 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 18 2 1 0 21 2 1 0 16 5 1 0 16 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 6 6 31 1 1 7 32 1 0 7 33 1 0 8 34 1 6 9 35 1 0 11 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 6 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 6 22 50 1 0 M END